1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine

C13H19N3 — CID 79509614

IUPAC1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1ccc(C)cc1
InChIInChI=1S/C13H19N3/c1-4-16-12(14)15-9-13(16,3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H2,14,15)
InChIKeyOILMPBWNCFHQPG-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.86
Rot. Bonds2

About 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine

1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine (PubChem CID 79509614) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine
PubChem CID79509614
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1ccc(C)cc1
InChIInChI=1S/C13H19N3/c1-4-16-12(14)15-9-13(16,3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H2,14,15)
InChIKeyOILMPBWNCFHQPG-UHFFFAOYSA-N
XLogP1.86
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine (CID 79509614) is 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine is CCN1C(N)=NCC1(C)c1ccc(C)cc1.
What is the InChIKey of 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is OILMPBWNCFHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-16-12(14)15-9-13(16,3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H2,14,15).
What are the key properties of 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79509614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).